General Information of the Compound
| Compound ID |
CP0563094
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| Compound Name |
US9029381, 13
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| Structure |
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| Formula |
C18H23BrN2O
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| Molecular Weight |
363.299
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| Canonical SMILES |
Brc1ccc(cc1)C1C[C@@H]1C(=O)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C18H23BrN2O/c19-14-6-4-13(5-7-14)16-12-17(16)18(22)21-10-8-20(9-11-21)15-2-1-3-15/h4-7,15-17H,1-3,8-12H2/t16?,17-/m0/s1
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| InChIKey |
QXNSPQZOLIPIJZ-DJNXLDHESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound